CID 71983

Carbazeran

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CCNC(=O)OC1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C18H24N4O4/c1-4-19-18(23)26-13-5-7-22(8-6-13)17-14-10-16(25-3)15(24-2)9-12(14)11-20-21-17/h9-11,13H,4-8H2,1-3H3,(H,19,23)
InChIKey
QJGVXJYGDBSPSJ-UHFFFAOYSA-N
Compound name
[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

826
Patents

360.17975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18703 186.3
[M+Na]+ 383.16897 191.7
[M-H]- 359.17247 189.0
[M+NH4]+ 378.21357 195.3
[M+K]+ 399.14291 188.6
[M+H-H2O]+ 343.17701 175.1
[M+HCOO]- 405.17795 201.5
[M+CH3COO]- 419.19360 217.8
[M+Na-2H]- 381.15442 189.2
[M]+ 360.17920 187.7
[M]- 360.18030 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe